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	hartrees
Energy at 0K	-528.073717
Energy at 298.15K	-528.074346
HF Energy	-528.073717
Nuclear repulsion energy	95.391392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1136	1118	72.01	8.08	0.56	0.72
2	A'	958	944	18.94	30.85	0.14	0.24
3	A'	274	270	22.59	4.60	0.57	0.73

Atom	x (Å)	y (Å)
S1	0.000	0.331
N2	1.427	-0.209
O3	-1.248	-0.479

	S1	N2	O3
S1		1.5256	1.4880
N2	1.5256		2.6887
O3	1.4880	2.6887

Number	Element	Mulliken
1	S	1.029
2	N	-0.466
3	O	-0.563

All results from a given calculation for NSO (sulfinyl amidogen)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	x	y	z	Total
	-0.043	1.171	0.000	1.172
CHELPG
AIM
ESP

	x	y	z
x	6.720	0.085	0.000
y	0.085	3.822	0.000
z	0.000	0.000	3.325

<r²>	45.714
(<r²>)^1/2	6.761